SCHEMBL1491952

SCHEMBL1491952

O=C(Nc1ccccc1CCCl)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.55
KCNK9 Q9NPC2 1/20 0.55
MDM4 O15151 1/20 0.53
TP53 P04637 1/20 0.53
HDAC3 O15379 1/20 0.53
MAPK1 P28482 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
SLC16A3 O15427 6/20 0.52
NR1H4 Q96RI1 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ABCB1 P08183 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8654405 0.86 KCNK3 (0.57) KCNK3KCNK9MDM4TP53HDAC3
SCHEMBL27849340 0.85 KCNK3 (0.56) KCNK3KCNK9MDM4TP53HDAC3
SCHEMBL11347943 0.83 NR1H4 (0.55) KCNK3KCNK9MDM4TP53HDAC3
SCHEMBL528445 0.81 KCNK3 (0.77) KCNK3KCNK9MDM4TP53HDAC3
SCHEMBL16532204 0.81 SLC16A3 (0.61) KCNK3KCNK9MDM4TP53HDAC3
SCHEMBL7511265 0.79 HDAC3 (0.61) KCNK3KCNK9MDM4TP53HDAC3
SCHEMBL6971074 0.79 NR1H4 (0.57) KCNK3KCNK9MDM4TP53HDAC3
SCHEMBL21711305 0.79 NR1H4 (0.75) KCNK3KCNK9MDM4TP53HDAC3
SCHEMBL8902669 0.79 KCNK3 (0.57) KCNK3KCNK9MDM4TP53HDAC3
SCHEMBL7374512 0.78 KCNK3 (0.53) KCNK3KCNK9MDM4TP53HDAC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9735377-B2 Phosphorescent emitters and host materials with improved stability UNIVERSAL DISPLAY CORPORATION (US) 2017-08-15 US disclosed
US-20170110676-A1 PHOSPHORESCENT EMITTERS AND HOST MATERIALS WITH IMPROVED STABILITY UNIVERSAL DISPLAY CORPORATION 2017-04-20 US disclosed
US-20140042413-A1 PHOSPHORESCENT EMITTERS AND HOST MATERIALS WITH IMPROVED STABILITY UNIVERSAL DISPLAY CORPORATION (US) 2014-02-13 US disclosed
US-8586204-B2 Phosphorescent emitters and host materials with improved stability UNIVERSAL DISPLAY CORPORATION (US) 2013-11-19 US disclosed
US-20110057559-A1 PHOSPHORESCENT EMITTERS AND HOST MATERIALS WITH IMPROVED STABILITY UNIVERSAL DISPLAY CORPORATION (US) 2011-03-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110057559-A1 PHOSPHORESCENT EMITTERS AND HOST MATERIALS WITH IMPROVED STABILITY DDT, TPST2, NUDT1 KCNK3 4478/4885KCNK9 4479/4885MDM4 560/4885
US-20170110676-A1 PHOSPHORESCENT EMITTERS AND HOST MATERIALS WITH IMPROVED STABILITY NUDC, TEC, MAP1LC3C KCNK3 3915/4885KCNK9 3988/4885MDM4 478/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.